1,4-dimethyl (2Z)-2-fluorobut-2-enedioate
TL;DR: 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate (CAS 18414-17-0) is a chemical compound with molecular formula C6H7FO4 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (Z)-2-fluorobut-2-enedioate
Also Known As: dimethyl fluorofumarate, Dimethyl 2-fluorofumarate, starbld0042006, dimethyl (Z)-2-fluorobut-2-enedioate, dimethyl erythro-3-fluoromaloate
| Molecular Formula | C6H7FO4 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 0.1858 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.03284 |
| Heavy Atoms | 11 |
| Complexity | 196.75896 |
Chemical Identifiers
| CAS Number | 18414-17-0 |
|---|---|
| SMILES | COC(=O)/C=C(/C(=O)OC)\F |
Product Overview
1,4-dimethyl (2Z)-2-fluorobut-2-enedioate (CAS 18414-17-0), with molecular formula C6H7FO4 and molecular weight 162.03 g/mol. IUPAC: dimethyl (Z)-2-fluorobut-2-enedioate.
Chemical Property Profile of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate
Property Insights of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate
The XLogP value of 0.1858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate?
The CAS number of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate is 18414-17-0.
What is the molecular formula of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate?
The molecular formula of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate is C6H7FO4.
What is the molecular weight of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate?
The molecular weight of 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate is 162.03 g/mol.
Where can I buy 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate?
You can request a quote for 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.